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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'welsh' and Initial = 'dc'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126304
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C20H16Cl3F2N5O3/c21-13-4-5-14(22)12(7-13)8-26-17(31)10-29-16(23)9-27-18(19(29)32)28-11-20(24,25)15-3-1-2-6-30(15)33/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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0.0870n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126303
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2F)c1=O
Show InChI InChI=1S/C20H16Cl2F3N5O3/c21-13-4-5-14(23)12(7-13)8-26-17(31)10-29-16(22)9-27-18(19(29)32)28-11-20(24,25)15-3-1-2-6-30(15)33/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126309
PNG
(CHEMBL29744 | N-(3-Bromo-benzyl)-2-{6-chloro-3-[2,...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cccc(Br)c2)c1=O
Show InChI InChI=1S/C20H17BrClF2N5O3/c21-14-5-3-4-13(8-14)9-25-17(30)11-28-16(22)10-26-18(19(28)31)27-12-20(23,24)15-6-1-2-7-29(15)32/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
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0.190n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126493
PNG
(2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1
Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126300
PNG
(CHEMBL25845 | N-(3-Chloro-benzyl)-2-{6-chloro-3-[2...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C20H17Cl2F2N5O3/c21-14-5-3-4-13(8-14)9-25-17(30)11-28-16(22)10-26-18(19(28)31)27-12-20(23,24)15-6-1-2-7-29(15)32/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
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0.260n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150298
PNG
((S)-1-((R)-2-Cyclohexyl-2-hydroxy-acetyl)-pyrrolid...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C21H30ClN3O3/c22-17-9-8-15(12-23)16(11-17)13-24-20(27)18-7-4-10-25(18)21(28)19(26)14-5-2-1-3-6-14/h8-9,11,14,18-19,26H,1-7,10,12-13,23H2,(H,24,27)/t18-,19+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150297
PNG
((S)-1-(2-Hydroxy-acetyl)-pyrrolidine-2-carboxylic ...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CO
Show InChI InChI=1S/C15H20ClN3O3/c16-12-4-3-10(7-17)11(6-12)8-18-15(22)13-2-1-5-19(13)14(21)9-20/h3-4,6,13,20H,1-2,5,7-9,17H2,(H,18,22)/t13-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126483
PNG
(2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CCC1
Show InChI InChI=1S/C20H28N6O4S/c1-12-8-16(31(29,30)24-9-14-4-3-5-14)19(22)20(28)26(12)11-18(27)23-10-15-6-7-17(21)25-13(15)2/h6-8,14,24H,3-5,9-11,22H2,1-2H3,(H2,21,25)(H,23,27)
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0.75n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126295
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES Cc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1
Show InChI InChI=1S/C21H20ClF2N5O3/c1-14-5-4-6-15(9-14)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-7-2-3-8-29(16)32/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27)
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0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126294
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C20H16ClF4N5O3/c21-16-9-27-18(28-11-20(24,25)15-6-1-2-7-30(15)33)19(32)29(16)10-17(31)26-8-12-13(22)4-3-5-14(12)23/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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0.850n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150299
PNG
((S)-1-((R)-2-Hydroxy-2-phenyl-acetyl)-pyrrolidine-...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C21H24ClN3O3/c22-17-9-8-15(12-23)16(11-17)13-24-20(27)18-7-4-10-25(18)21(28)19(26)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18-19,26H,4,7,10,12-13,23H2,(H,24,27)/t18-,19+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126306
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2c(F)ccc(F)c2F)c1=O
Show InChI InChI=1S/C20H15ClF5N5O3/c21-15-8-28-18(29-10-20(25,26)14-3-1-2-6-31(14)34)19(33)30(15)9-16(32)27-7-11-12(22)4-5-13(23)17(11)24/h1-6,8H,7,9-10H2,(H,27,32)(H,28,29)
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126495
PNG
(2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCCC1
Show InChI InChI=1S/C21H29N5O4S/c1-13-9-17(31(29,30)12-15-5-3-4-6-15)20(23)21(28)26(13)11-19(27)24-10-16-7-8-18(22)25-14(16)2/h7-9,15H,3-6,10-12,23H2,1-2H3,(H2,22,25)(H,24,27)
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126297
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES COc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1
Show InChI InChI=1S/C21H20ClF2N5O4/c1-33-15-6-4-5-14(9-15)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-7-2-3-8-29(16)32/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27)
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126313
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2c(F)cccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C21H16ClF6N5O3/c22-16-9-30-18(31-11-20(24,25)15-6-1-2-7-33(15)36)19(35)32(16)10-17(34)29-8-12-13(21(26,27)28)4-3-5-14(12)23/h1-7,9H,8,10-11H2,(H,29,34)(H,30,31)
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126498
PNG
(2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126301
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(F)ccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C21H16ClF6N5O3/c22-16-9-30-18(31-11-20(24,25)15-3-1-2-6-33(15)36)19(35)32(16)10-17(34)29-8-12-7-13(23)4-5-14(12)21(26,27)28/h1-7,9H,8,10-11H2,(H,29,34)(H,30,31)
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1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126494
PNG
(2-(3-Amino-4-cyclobutylsulfamoyl-6-methyl-2-oxo-2H...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CCC1
Show InChI InChI=1S/C19H26N6O4S/c1-11-8-15(30(28,29)24-14-4-3-5-14)18(21)19(27)25(11)10-17(26)22-9-13-6-7-16(20)23-12(13)2/h6-8,14,24H,3-5,9-10,21H2,1-2H3,(H2,20,23)(H,22,26)
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1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126499
PNG
(2-[3-Amino-6-methyl-2-oxo-4-(thiophene-2-sulfonyl)...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H21N5O4S2/c1-11-8-14(30(27,28)17-4-3-7-29-17)18(21)19(26)24(11)10-16(25)22-9-13-5-6-15(20)23-12(13)2/h3-8H,9-10,21H2,1-2H3,(H2,20,23)(H,22,25)
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1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126490
PNG
(2-(3-Amino-4-cyclopropylmethanesulfonyl-6-methyl-2...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C19H25N5O4S/c1-11-7-15(29(27,28)10-13-3-4-13)18(21)19(26)24(11)9-17(25)22-8-14-5-6-16(20)23-12(14)2/h5-7,13H,3-4,8-10,21H2,1-2H3,(H2,20,23)(H,22,25)
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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126308
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H19ClF5N5O4/c23-17-10-30-19(31-12-21(24,25)16-7-3-4-8-33(16)36)20(35)32(17)11-18(34)29-9-14-5-1-2-6-15(14)37-13-22(26,27)28/h1-8,10H,9,11-13H2,(H,29,34)(H,30,31)
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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126307
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cccc(Cl)c2Cl)c1=O
Show InChI InChI=1S/C20H16Cl3F2N5O3/c21-13-5-3-4-12(17(13)23)8-26-16(31)10-29-15(22)9-27-18(19(29)32)28-11-20(24,25)14-6-1-2-7-30(14)33/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126486
PNG
(CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1cc2c(NCN(CC3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C20H26N6O4S/c1-12-7-16-19(23-11-25(31(16,29)30)9-14-3-4-14)20(28)26(12)10-18(27)22-8-15-5-6-17(21)24-13(15)2/h5-7,14,23H,3-4,8-11H2,1-2H3,(H2,21,24)(H,22,27)
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150293
PNG
((S)-1-((R)-2-Hydroxy-3,3-dimethyl-butyryl)-pyrroli...)
Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
Show InChI InChI=1S/C19H28ClN3O3/c1-19(2,3)16(24)18(26)23-8-4-5-15(23)17(25)22-11-13-9-14(20)7-6-12(13)10-21/h6-7,9,15-16,24H,4-5,8,10-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126302
PNG
(2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINY...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2F)c1=O
Show InChI InChI=1S/C20H17ClF3N5O3/c21-16-10-26-18(27-12-20(23,24)15-7-3-4-8-29(15)32)19(31)28(16)11-17(30)25-9-13-5-1-2-6-14(13)22/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126290
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(F)ccc2F)c1=O
Show InChI InChI=1S/C20H16ClF4N5O3/c21-16-9-27-18(28-11-20(24,25)15-3-1-2-6-30(15)33)19(32)29(16)10-17(31)26-8-12-7-13(22)4-5-14(12)23/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126293
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2OC(F)(F)F)c1=O
Show InChI InChI=1S/C21H17ClF5N5O4/c22-16-10-29-18(30-12-20(23,24)15-7-3-4-8-32(15)35)19(34)31(16)11-17(33)28-9-13-5-1-2-6-14(13)36-21(25,26)27/h1-8,10H,9,11-12H2,(H,28,33)(H,29,30)
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126311
PNG
(CHEMBL26804 | N-(2-Chloro-benzyl)-2-{6-chloro-3-[2...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2F2N5O3/c21-14-6-2-1-5-13(14)9-25-17(30)11-28-16(22)10-26-18(19(28)31)27-12-20(23,24)15-7-3-4-8-29(15)32/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150290
PNG
((S)-1-((S)-2-Hydroxy-2-phenyl-propionyl)-pyrrolidi...)
Show SMILES C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1
Show InChI InChI=1S/C22H26ClN3O3/c1-22(29,17-6-3-2-4-7-17)21(28)26-11-5-8-19(26)20(27)25-14-16-12-18(23)10-9-15(16)13-24/h2-4,6-7,9-10,12,19,29H,5,8,11,13-14,24H2,1H3,(H,25,27)/t19-,22-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126298
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ncccc2Cl)c1=O
Show InChI InChI=1S/C19H16Cl2F2N6O3/c20-12-4-3-6-24-13(12)8-25-16(30)10-28-15(21)9-26-17(18(28)31)27-11-19(22,23)14-5-1-2-7-29(14)32/h1-7,9H,8,10-11H2,(H,25,30)(H,26,27)
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2.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126289
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2OC(F)F)c1=O
Show InChI InChI=1S/C21H18ClF4N5O4/c22-16-10-28-18(29-12-21(25,26)15-7-3-4-8-31(15)34)19(33)30(16)11-17(32)27-9-13-5-1-2-6-14(13)35-20(23)24/h1-8,10,20H,9,11-12H2,(H,27,32)(H,28,29)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126292
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES COc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O
Show InChI InChI=1S/C21H20ClF2N5O4/c1-33-15-7-3-2-6-14(15)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-8-4-5-9-29(16)32/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126491
PNG
(2-(3-Amino-4-cyclohexanesulfonyl-6-methyl-2-oxo-2H...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H29N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h8-10,16H,3-7,11-12,23H2,1-2H3,(H2,22,25)(H,24,27)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126316
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ncccc2F)c1=O
Show InChI InChI=1S/C19H16ClF3N6O3/c20-15-9-26-17(27-11-19(22,23)14-5-1-2-7-29(14)32)18(31)28(15)10-16(30)25-8-13-12(21)4-3-6-24-13/h1-7,9H,8,10-11H2,(H,25,30)(H,26,27)
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126296
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C21H17ClF5N5O3/c22-16-10-29-18(30-12-20(23,24)15-7-3-4-8-32(15)35)19(34)31(16)11-17(33)28-9-13-5-1-2-6-14(13)21(25,26)27/h1-8,10H,9,11-12H2,(H,28,33)(H,29,30)
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126315
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O
Show InChI InChI=1S/C20H16Cl2F3N5O3/c21-13-7-12(4-5-14(13)23)8-26-17(31)10-29-16(22)9-27-18(19(29)32)28-11-20(24,25)15-3-1-2-6-30(15)33/h1-7,9H,8,10-11H2,(H,26,31)(H,27,28)
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150291
PNG
((S)-1-((R)-3-Cyclopropyl-2-hydroxy-3-methyl-butyry...)
Show SMILES CC(C)([C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)C1CC1
Show InChI InChI=1S/C20H28ClN3O3/c1-20(2,14-4-5-14)17(25)19(27)24-8-7-16(24)18(26)23-11-13-9-15(21)6-3-12(13)10-22/h3,6,9,14,16-17,25H,4-5,7-8,10-11,22H2,1-2H3,(H,23,26)/t16-,17-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126488
PNG
(2-(3-Amino-4-benzenesulfonyl-6-methyl-2-oxo-2H-pyr...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H23N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h3-10H,11-12,23H2,1-2H3,(H2,22,25)(H,24,27)
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3.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126485
PNG
(CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28)
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3.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126492
PNG
(2-[3-Amino-4-(cyclopropylmethyl-sulfamoyl)-6-methy...)
Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C19H26N6O4S/c1-11-7-15(30(28,29)23-8-13-3-4-13)18(21)19(27)25(11)10-17(26)22-9-14-5-6-16(20)24-12(14)2/h5-7,13,23H,3-4,8-10,21H2,1-2H3,(H2,20,24)(H,22,26)
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4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 1441-4 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q8C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150295
PNG
((S)-1-((R)-2-Hydroxy-2-phenyl-propionyl)-pyrrolidi...)
Show SMILES C[C@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1
Show InChI InChI=1S/C22H26ClN3O3/c1-22(29,17-6-3-2-4-7-17)21(28)26-11-5-8-19(26)20(27)25-14-16-12-18(23)10-9-15(16)13-24/h2-4,6-7,9-10,12,19,29H,5,8,11,13-14,24H2,1H3,(H,25,27)/t19-,22+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126305
PNG
(2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES Fc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
Show InChI InChI=1S/C20H17ClF3N5O2/c21-16-10-27-18(28-12-20(23,24)15-7-3-4-8-25-15)19(31)29(16)11-17(30)26-9-13-5-1-2-6-14(13)22/h1-8,10H,9,11-12H2,(H,26,30)(H,27,28)
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4.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150292
PNG
((S)-1-((R)-2-Hydroxy-3,3-dimethyl-butyryl)-azetidi...)
Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
Show InChI InChI=1S/C18H26ClN3O3/c1-18(2,3)15(23)17(25)22-7-6-14(22)16(24)21-10-12-8-13(19)5-4-11(12)9-20/h4-5,8,14-15,23H,6-7,9-10,20H2,1-3H3,(H,21,24)/t14-,15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123494
PNG
(2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
Show InChI InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126314
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES CCOc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O
Show InChI InChI=1S/C22H22ClF2N5O4/c1-2-34-16-8-4-3-7-15(16)11-26-19(31)13-29-18(23)12-27-20(21(29)32)28-14-22(24,25)17-9-5-6-10-30(17)33/h3-10,12H,2,11,13-14H2,1H3,(H,26,31)(H,27,28)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50150296
PNG
((S)-1-((R)-2-Hydroxy-3-methyl-butyryl)-pyrrolidine...)
Show SMILES CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
Show InChI InChI=1S/C18H26ClN3O3/c1-11(2)16(23)18(25)22-7-3-4-15(22)17(24)21-10-13-8-14(19)6-5-12(13)9-20/h5-6,8,11,15-16,23H,3-4,7,9-10,20H2,1-2H3,(H,21,24)/t15-,16+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against human Thrombin


Bioorg Med Chem Lett 14: 4161-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.030
BindingDB Entry DOI: 10.7270/Q2833RH3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126312
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES Cc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O
Show InChI InChI=1S/C21H20ClF2N5O3/c1-14-6-2-3-7-15(14)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-8-4-5-9-29(16)32/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27)
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6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126299
PNG
(CHEMBL29592 | N-Benzyl-2-{6-chloro-3-[2,2-difluoro...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H18ClF2N5O3/c21-16-11-25-18(26-13-20(22,23)15-8-4-5-9-28(15)31)19(30)27(16)12-17(29)24-10-14-6-2-1-3-7-14/h1-9,11H,10,12-13H2,(H,24,29)(H,25,26)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126291
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cccc(OC(F)F)c2)c1=O
Show InChI InChI=1S/C21H18ClF4N5O4/c22-16-10-28-18(29-12-21(25,26)15-6-1-2-7-31(15)34)19(33)30(16)11-17(32)27-9-13-4-3-5-14(8-13)35-20(23)24/h1-8,10,20H,9,11-12H2,(H,27,32)(H,28,29)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50126310
PNG
(2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cccc(F)c2)c1=O
Show InChI InChI=1S/C20H17ClF3N5O3/c21-16-10-26-18(27-12-20(23,24)15-6-1-2-7-29(15)32)19(31)28(16)11-17(30)25-9-13-4-3-5-14(22)8-13/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


Bioorg Med Chem Lett 13: 1353-7 (2003)


BindingDB Entry DOI: 10.7270/Q2833RC9
More data for this
Ligand-Target Pair
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